UCSF

ZINC34925695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.35 4.45 -81.22 4 5 2 53 261.373 2
Hi High (pH 8-9.5) 0.35 1.47 -10.24 2 5 0 50 259.357 2
Mid Mid (pH 6-8) 0.35 3.83 -44.18 3 5 1 52 260.365 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )